3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)-2-oxo-ethyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)-2-oxoethyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-(4-nitrophenyl)-2-oxoethyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-keto-2-(4-nitrophenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C23H27N7O5 MolecularWeight: 481.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H27N7O5/c1-15(2)8-11-28-19-20(25-22(28)27-12-9-24-10-13-27)26(3)23(33)29(21(19)32)14-18(31)16-4-6-17(7-5-16)30(34)35/h4-8,24H,9-14H2,1-3H3